## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
186 |
51 |
13293 |
◊ |
C |
x,y,z |
1_555 |
192 |
53 |
13334 |
1807.8 |
-20.5 |
0.045 |
20 |
0 |
0 |
0.742 |
2 |
|
B |
190 |
52 |
13011 |
◊ |
A |
x,y,z |
1_555 |
182 |
50 |
13162 |
1761.1 |
-21.4 |
0.039 |
19 |
0 |
0 |
0.742 |
Average: |
1784.5 |
-20.9 |
0.042 |
20 |
0 |
0 |
0.742 |
2 |
3 |
|
C |
88 |
24 |
13334 |
◊ |
A |
x,y,z |
1_555 |
90 |
23 |
13162 |
798.2 |
-4.1 |
0.425 |
14 |
6 |
0 |
0.228 |
4 |
|
D |
82 |
22 |
13293 |
◊ |
B |
x,y,z |
1_555 |
84 |
21 |
13011 |
708.8 |
-7.8 |
0.190 |
10 |
6 |
0 |
0.228 |
Average: |
753.5 |
-5.9 |
0.308 |
12 |
6 |
0 |
0.228 |
3 |
5 |
|
A |
65 |
17 |
13162 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
57 |
19 |
13011 |
574.8 |
2.8 |
0.823 |
7 |
5 |
0 |
0.000 |
4 |
6 |
|
D |
37 |
10 |
13293 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
48 |
13 |
13162 |
309.0 |
-2.2 |
0.444 |
1 |
0 |
0 |
0.023 |
5 |
7 |
|
[PE4]A:306 |
15 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
13162 |
269.9 |
6.9 |
0.152 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
31 |
10 |
13293 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
13162 |
250.5 |
2.8 |
0.844 |
6 |
2 |
0 |
0.007 |
9 |
|
C |
29 |
9 |
13334 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
13011 |
244.5 |
3.7 |
0.888 |
9 |
5 |
0 |
0.007 |
Average: |
247.5 |
3.2 |
0.866 |
8 |
4 |
0 |
0.007 |
7 |
10 |
|
[PE4]B:305 |
11 |
1 |
368 |
f |
B |
x,y,z |
1_555 |
32 |
12 |
13011 |
221.9 |
0.7 |
0.374 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[PE4]C:303 |
10 |
1 |
350 |
f |
C |
x,y,z |
1_555 |
35 |
12 |
13334 |
217.6 |
-2.9 |
0.368 |
0 |
0 |
0 |
0.100 |
9 |
12 |
|
A |
29 |
10 |
13162 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
5 |
13293 |
202.5 |
-0.1 |
0.602 |
5 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
19 |
6 |
13334 |
x |
C |
-x,y-1/2,-z |
2_545 |
18 |
4 |
13334 |
166.3 |
-1.0 |
0.453 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[PE4]B:306 |
13 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
13011 |
155.6 |
-2.5 |
0.246 |
0 |
0 |
0 |
0.042 |
12 |
15 |
|
C |
19 |
8 |
13334 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
7 |
13162 |
154.9 |
1.3 |
0.653 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
16 |
6 |
13293 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
7 |
13334 |
152.8 |
1.2 |
0.751 |
2 |
2 |
0 |
0.000 |
14 |
17 |
|
B |
10 |
3 |
13011 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
13162 |
91.2 |
2.0 |
0.855 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[ACT]C:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
13334 |
86.9 |
0.3 |
0.758 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[ACT]D:304 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
13293 |
86.6 |
-0.3 |
0.604 |
0 |
0 |
0 |
0.008 |
17 |
20 |
|
[ACT]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13162 |
85.2 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACT]B:304 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13011 |
83.1 |
0.0 |
0.739 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
13 |
3 |
13162 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
2 |
13162 |
80.6 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[SO4]A:303 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13162 |
73.9 |
-10.3 |
0.800 |
2 |
0 |
0 |
0.213 |
21 |
24 |
|
[SO4]D:303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13011 |
73.6 |
-10.8 |
0.790 |
2 |
0 |
0 |
0.202 |
22 |
25 |
|
[SO4]A:303 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
13334 |
73.5 |
-10.2 |
0.788 |
1 |
0 |
0 |
0.201 |
23 |
26 |
|
[ACT]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13162 |
70.9 |
0.3 |
0.758 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]D:303 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
13293 |
70.8 |
-9.8 |
0.785 |
1 |
0 |
0 |
0.178 |
25 |
28 |
|
C |
8 |
4 |
13334 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
13011 |
69.2 |
0.7 |
0.725 |
1 |
2 |
0 |
0.000 |
26 |
29 |
|
A |
8 |
4 |
13162 |
f |
[SO4]B:302 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
186 |
67.9 |
-9.2 |
0.796 |
1 |
0 |
0 |
0.183 |
27 |
30 |
|
D |
5 |
4 |
13293 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
13011 |
67.6 |
1.8 |
0.772 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13162 |
64.9 |
-6.5 |
0.945 |
2 |
0 |
0 |
0.140 |
29 |
32 |
|
[PE4]B:306 |
8 |
1 |
409 |
f |
[PE4]B:305 |
x,y,z |
1_555 |
6 |
1 |
368 |
64.2 |
0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[SO4]B:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13011 |
61.2 |
-7.1 |
0.918 |
2 |
0 |
0 |
0.000 |
31 |
34 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13011 |
60.9 |
-6.6 |
0.940 |
2 |
0 |
0 |
0.129 |
32 |
35 |
|
[SO4]A:302 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
13334 |
55.8 |
-5.2 |
0.950 |
1 |
0 |
0 |
0.106 |
33 |
36 |
|
[SO4]B:303 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
13293 |
54.2 |
-5.6 |
0.945 |
2 |
0 |
0 |
0.112 |
34 |
37 |
|
[NA]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
13293 |
53.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.176 |
35 |
38 |
|
A |
8 |
1 |
13162 |
◊ |
[PE4]B:306 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
409 |
45.1 |
0.7 |
0.508 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
D |
8 |
2 |
13293 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
13293 |
43.2 |
0.9 |
0.783 |
0 |
1 |
0 |
0.000 |
37 |
40 |
|
D |
8 |
3 |
13293 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
13011 |
42.8 |
1.1 |
0.749 |
1 |
1 |
0 |
0.000 |
38 |
41 |
|
A |
5 |
2 |
13162 |
◊ |
[PE4]B:305 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
368 |
40.9 |
1.1 |
0.647 |
1 |
0 |
0 |
0.000 |
39 |
42 |
|
C |
8 |
5 |
13334 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
13011 |
33.1 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
C |
7 |
3 |
13334 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
10 |
6 |
13011 |
32.4 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
C |
3 |
1 |
13334 |
◊ |
[PE4]B:306 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
409 |
30.5 |
0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
C |
3 |
1 |
13334 |
◊ |
D |
x-1,y,z-1 |
1_454 |
2 |
1 |
13293 |
24.9 |
-0.5 |
0.269 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
2 |
1 |
13162 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
1 |
13011 |
18.9 |
-0.5 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
21.9 |
-0.5 |
0.291 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
C |
2 |
2 |
13334 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
13162 |
7.2 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
C |
1 |
1 |
13334 |
◊ |
[SO4]B:302 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
186 |
4.8 |
-0.6 |
0.531 |
0 |
0 |
0 |
0.012 |
45 |
49 |
|
[ACT]B:304 |
1 |
1 |
182 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13162 |
2.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[ACT]C:302 |
1 |
1 |
183 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13011 |
1.4 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|